change zero-size shrink box to original box

doc/src/compute_property_local.txt

@@ -2,7 +2,7 @@
 
 :link(lws,http://lammps.sandia.gov)
 :link(ld,Manual.html)
-:link(lc,Section_commands.html#comm)
+:link(lc,Commands_all.html)
 
 :line
 
@@ -48,10 +48,10 @@ compute 1 all property/local atype aatom2 :pre
 
 Define a computation that stores the specified attributes as local
 data so it can be accessed by other "output
-commands"_Section_howto.html#howto_15.  If the input attributes refer
+commands"_Howto_output.html.  If the input attributes refer to bond
-to bond information, then the number of datums generated, aggregated
+information, then the number of datums generated, aggregated across
-across all processors, equals the number of bonds in the system.
+all processors, equals the number of bonds in the system.  Ditto for
-Ditto for pairs, angles, etc.
+pairs, angles, etc.
 
 If multiple attributes are specified then they must all generate the
 same amount of information, so that the resulting local array has the
@@ -140,8 +140,8 @@ the array is the number of bonds, angles, etc.  If a single input is
 specified, a local vector is produced.  If two or more inputs are
 specified, a local array is produced where the number of columns = the
 number of inputs.  The vector or array can be accessed by any command
-that uses local values from a compute as input.  See "this
+that uses local values from a compute as input.  See the "Howto
-section"_Section_howto.html#howto_15 for an overview of LAMMPS output
+output"_Howto_output.html doc page for an overview of LAMMPS output
 options.
 
 The vector or array values will be integers that correspond to the

src/balance.cpp

@@ -28,7 +28,6 @@
 #include "rcb.h"
 #include "irregular.h"
 #include "domain.h"
-#include "neighbor.h"
 #include "force.h"
 #include "update.h"
 #include "group.h"
@@ -351,13 +350,13 @@ void Balance::command(int narg, char **arg)
   domain->set_local_box();
 
   // move particles to new processors via irregular()
+  // set disable = 0, so weights migrate with atoms for imbfinal calculation
 
   if (domain->triclinic) domain->x2lamda(atom->nlocal);
   Irregular *irregular = new Irregular(lmp);
   if (wtflag) fixstore->disable = 0;
   if (style == BISECTION) irregular->migrate_atoms(1,1,rcb->sendproc);
   else irregular->migrate_atoms(1);
-  if (wtflag) fixstore->disable = 1;
   delete irregular;
   if (domain->triclinic) domain->lamda2x(atom->nlocal);
 
@@ -378,9 +377,11 @@ void Balance::command(int narg, char **arg)
   }
 
   // imbfinal = final imbalance
+  // set disable = 1, so weights no longer migrate with atoms
 
   double maxfinal;
   double imbfinal = imbalance_factor(maxfinal);
+  if (wtflag) fixstore->disable = 1;
 
   // stats output
 
@@ -541,6 +542,8 @@ void Balance::weight_storage(char *prefix)
     fixstore = (FixStore *) modify->fix[modify->nfix-1];
   } else fixstore = (FixStore *) modify->fix[ifix];
 
+  // do not carry weights with atoms during normal atom migration
+
   fixstore->disable = 1;
 
   if (prefix) delete [] fixargs[0];
@@ -644,17 +647,19 @@ int *Balance::bisection(int sortflag)
   double *shrinklo = &shrinkall[0];
   double *shrinkhi = &shrinkall[3];
 
-  // ensure that that the box has at least some extent.
+  // if shrink size in any dim is zero, use box size in that dim
-  const double nproc_rt = domain->dimension == 3 ?
+
-                          cbrt(static_cast<double>(comm->nprocs)) :
+  if (shrinklo[0] == shrinkhi[0]) {
-                          sqrt(static_cast<double>(comm->nprocs));
+    shrinklo[0] = boxlo[0];
-  const double min_extent = ceil(nproc_rt)*neighbor->skin;
+    shrinkhi[0] = boxhi[0];
-  for (int i = 0; i < domain->dimension; i++) {
+  }
-    if (shrinkall[3+i]-shrinkall[i] < min_extent) {
+  if (shrinklo[1] == shrinkhi[1]) {
-      const double mid = 0.5*(shrinkall[3+i]+shrinkall[i]);
+    shrinklo[1] = boxlo[1];
-      shrinkall[3+i] = std::min(mid + min_extent*0.5, boxhi[i]);
+    shrinkhi[1] = boxhi[1];
-      shrinkall[i]   = std::max(mid - min_extent*0.5, boxlo[i]);
+  }
-    }
+  if (shrinklo[2] == shrinkhi[2]) {
+    shrinklo[2] = boxlo[2];
+    shrinkhi[2] = boxhi[2];
   }
 
   // invoke RCB

src/rcb.cpp

@@ -241,6 +241,8 @@ void RCB::compute(int dimension, int n, double **x, double *wt,
     // dim_select = selected cut dimension
     // valuehalf_select = valuehalf in that dimension
     // dotmark_select = dot markings in that dimension
+    // initialize largest = -1.0 to insure a cut in some dim is accepted
+    //   e.g. if current recursed box is size 0 in all dims
 
     int dim_select = -1;
     double largest = -1.0;